SCHEMBL4257832

SCHEMBL4257832

Cc1nc(NC2CCC(NCc3ccc(F)c(F)c3)CC2)cc(N(C)C)n1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 9/20 0.43
CCNT1 O60563 5/20 0.38
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
KDM1A O60341 1/20 0.36
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ADRA2A P08913 1/20 0.35
ADRA1A P35348 1/20 0.35
HRH1 P35367 1/20 0.35
HTR2B P41595 1/20 0.35
PDE2A O00408 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4257825 1.00 MCHR1 (0.43) MCHR1CCNT1DRD2DRD3KDM1A
SCHEMBL4264983 0.84 LMNA (0.50) MCHR1CCNT1LMNACYP1A2CYP2D6
SCHEMBL4264985 0.84 LMNA (0.50) MCHR1CCNT1LMNACYP1A2CYP2D6
SCHEMBL4260562 0.82 CARM1 (0.45) MCHR1CCNT1KDM1ALMNACYP1A2
SCHEMBL4260567 0.82 CARM1 (0.45) MCHR1CCNT1KDM1ALMNACYP1A2
SCHEMBL4260890 0.79 ALDH1A1 (0.52) MCHR1LMNA
SCHEMBL4260882 0.79 ALDH1A1 (0.52) MCHR1LMNA
SCHEMBL4263749 0.79 MCHR1 (0.53) MCHR1CCNT1ADRA2A
SCHEMBL4263752 0.79 MCHR1 (0.53) MCHR1CCNT1ADRA2A
SCHEMBL4260441 0.77 MCHR1 (0.74) MCHR1ADRA2AADRA1AHRH1HTR2B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090036448-A1 PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMECUTICAL CO., LTD. (JP) 2009-02-05 US claimed
US-20090036448-A1 PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMECUTICAL CO., LTD. (JP) 2009-02-05 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090036448-A1 PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF GPR119, HCRTR2, MCHR1 MCHR1 3/4885CCNT1 1047/4885DRD2 117/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.